4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C9H14ClN5 — CID 605590

IUPAC4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CCl)nc(N2CCCCC2)n1
InChIInChI=1S/C9H14ClN5/c10-6-7-12-8(11)14-9(13-7)15-4-2-1-3-5-15/h1-6H2,(H2,11,12,13,14)
InChIKeyVLGDSUDZOVZMHX-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.18
Rot. Bonds2

About 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 605590) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID605590
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CCl)nc(N2CCCCC2)n1
InChIInChI=1S/C9H14ClN5/c10-6-7-12-8(11)14-9(13-7)15-4-2-1-3-5-15/h1-6H2,(H2,11,12,13,14)
InChIKeyVLGDSUDZOVZMHX-UHFFFAOYSA-N
XLogP1.18
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 605590) is 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(CCl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VLGDSUDZOVZMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c10-6-7-12-8(11)14-9(13-7)15-4-2-1-3-5-15/h1-6H2,(H2,11,12,13,14).
What are the key properties of 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 227.70 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 605590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).